Information card for entry 2227153

Structure parameters

• Chemical name: 1-[2-(2-Oxo-1,3-oxazolidin-3-yl)ethyl]-4-phenyl-1<i>H</i>- 1,5-benzodiazepin-2(3<i>H</i>)-one
• Formula: C20 H19 N3 O3
• Calculated formula: C20 H19 N3 O3
• SMILES: N1(c2ccccc2N=C(CC1=O)c1ccccc1)CCN1C(=O)OCC1
• Title of publication: 1-[2-(2-Oxo-1,3-oxazolidin-3-yl)ethyl]-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one
• Authors of publication: Ballo, Daouda; Ahabchane, Noureddine Hamou; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2080
• a: 9.0163 ± 0.0005 Å
• b: 11.6671 ± 0.0006 Å
• c: 16.2019 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1704.34 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes